3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

C16H14BrN3O — CID 140676211

IUPAC3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccn2c1Br)c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-11(12-7-3-2-4-8-12)18-16(21)14-15(17)20-10-6-5-9-13(20)19-14/h2-11H,1H3,(H,18,21)
InChIKeyVUACWNPJKQXZGE-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.59
Rot. Bonds3

About 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 140676211) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID140676211
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(NC(=O)c1nc2ccccn2c1Br)c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-11(12-7-3-2-4-8-12)18-16(21)14-15(17)20-10-6-5-9-13(20)19-14/h2-11H,1H3,(H,18,21)
InChIKeyVUACWNPJKQXZGE-UHFFFAOYSA-N
XLogP3.59
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-phenylethyl]-3-pyridin-4-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 95101848
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
3-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 154211458
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 83693870
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
3-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768800
N-[1-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 56698718
3-N-methyl-3-N-phenyl-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070419
N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42513074
3-N-(4-methylphenyl)-1-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070418
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070223

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 140676211) is 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is CC(NC(=O)c1nc2ccccn2c1Br)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VUACWNPJKQXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11(12-7-3-2-4-8-12)18-16(21)14-15(17)20-10-6-5-9-13(20)19-14/h2-11H,1H3,(H,18,21).
What are the key properties of 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 140676211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).